Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e11af322ce4cc52aad56871829d83396",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 78.03,
"b": 82.79,
"c": 133.12,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.550],
"number_observations_unique": 62683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 17.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.121
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations_unique": 4627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "I/SigI",
"value": 3.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.093
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations_unique": 4439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.128
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations_unique": 4372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 4.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.129
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations_unique": 4215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 5.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.140
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 6.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.140
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations_unique": 3978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 9.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.163
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations_unique": 3840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.143
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.000,1.920],
"number_observations_unique": 3698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.165
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.090,2.000],
"number_observations_unique": 3548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 16.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.142
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations_unique": 3398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 20.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.151
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations_unique": 3240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.146
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations_unique": 3056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 24.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.167
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations_unique": 2882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 28.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.153
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.830,2.620],
"number_observations_unique": 2709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 31.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.142
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.100,2.830],
"number_observations_unique": 2494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 35.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.114
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.470,3.100],
"number_observations_unique": 2249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 40.850
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.070
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.470],
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 44.870
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.073
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.900,4.000],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 46.690
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.027
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.930,4.900],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 44.850
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.960
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50,6.930],
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 46.080
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.549
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}